SCHEMBL1798640

SCHEMBL1798640

CN([C@@H]1O[C@@H](n2cnc3c(NCCN4CCOCC4)ncnc32)[C@H](O)[C@@H]1O)S(=O)(=O)O

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.49
ADORA1 P30542 3/20 0.45
DOT1L Q8TEK3 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1798260 0.93 SLC29A1 (0.50) SLC29A1ADORA3ADORA2AADORA2B
SCHEMBL1796277 0.88 ADORA3 (0.52) SLC29A1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL1798638 0.84 SLC29A1 (0.54) SLC29A1ADORA1ADORA3ADORA2A
SCHEMBL1797623 0.84 SLC29A1 (0.52) SLC29A1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL1798642 0.80 UBA6 (0.58) SLC29A1ADORA1ADORA3
SCHEMBL1796397 0.79 ADORA3 (0.51) SLC29A1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL1796387 0.79 ADORA3 (0.48) SLC29A1ADORA1ADORA3ADORA2A
SCHEMBL1796046 0.78 SLC29A1 (0.57) SLC29A1ADORA3
SCHEMBL1797176 0.78 ADORA3 (0.67) SLC29A1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL1798256 0.77 SLC29A1 (0.55) SLC29A1ADORA1ADORA3ADORA2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070798-A1 Inhibitors of E1 activating enzymes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-11 US disclosed
US-20180086785-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. 2018-03-29 US disclosed
US-20140256668-A9 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-11 US disclosed
US-20130338094-A1 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-12-19 US disclosed
EP-1848718-B1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARM INC (US) 2012-08-01 EP disclosed
US-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-06-09 US disclosed
US-7951810-B2 Substituted pyrrolo[2,3-d]pyrimidines as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-31 US disclosed
US-20060189636-A1 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-08-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180086785-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 SLC29A1 1761/4885ADORA1 857/4885DOT1L 2827/4885
US-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 SLC29A1 3671/4885ADORA1 2055/4885DOT1L 3312/4885
US-20140256668-A9 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES DPYD, CCND3, POLD3 SLC29A1 1134/4885ADORA1 232/4885DOT1L 3408/4885
US-20210070798-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 SLC29A1 3671/4885ADORA1 2055/4885DOT1L 3312/4885
US-20130338094-A1 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES DPYD, CCND3, POLD3 SLC29A1 1134/4885ADORA1 232/4885DOT1L 3408/4885
US-20060189636-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 SLC29A1 3671/4885ADORA1 2055/4885DOT1L 3312/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.